5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

C17H15BrF2N4O — CID 68866883

IUPAC5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(-c2c(F)cccc2F)c(Br)nc(-n2cccn2)c1=O
InChIInChI=1S/C17H15BrF2N4O/c1-10(2)9-23-14(13-11(19)5-3-6-12(13)20)15(18)22-16(17(23)25)24-8-4-7-21-24/h3-8,10H,9H2,1-2H3
InChIKeyWXAFQGDECNZIRL-UHFFFAOYSA-N
MW409.23 g/mol
LogP3.79
Rot. Bonds4

About 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one

5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (PubChem CID 68866883) has the molecular formula C17H15BrF2N4O and a molecular weight of 409.23 g/mol. Its IUPAC name is 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.

Molecular Properties

Compound Name5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
PubChem CID68866883
Molecular FormulaC17H15BrF2N4O
Molecular Weight409.23 g/mol
Exact Mass408.04
IUPAC Name5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
SMILESCC(C)Cn1c(-c2c(F)cccc2F)c(Br)nc(-n2cccn2)c1=O
InChIInChI=1S/C17H15BrF2N4O/c1-10(2)9-23-14(13-11(19)5-3-6-12(13)20)15(18)22-16(17(23)25)24-8-4-7-21-24/h3-8,10H,9H2,1-2H3
InChIKeyWXAFQGDECNZIRL-UHFFFAOYSA-N
XLogP3.79
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The IUPAC name of 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one (CID 68866883) is 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one.
What is the SMILES notation for 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The canonical SMILES for 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is CC(C)Cn1c(-c2c(F)cccc2F)c(Br)nc(-n2cccn2)c1=O.
What is the InChIKey of 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
The InChIKey is WXAFQGDECNZIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrF2N4O/c1-10(2)9-23-14(13-11(19)5-3-6-12(13)20)15(18)22-16(17(23)25)24-8-4-7-21-24/h3-8,10H,9H2,1-2H3.
What are the key properties of 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one?
5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one has a molecular weight of 409.23 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2,6-difluorophenyl)-1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one is sourced from PubChem (CID 68866883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).